PMID-sentid Pub_year Sent_text compound_name comp_offset prot_official_name organism prot_offset 34318676-0 2021 Experimental and Computational Exploration of the NaF-ThF4 Fuel System: Structure and Thermochemistry. thf4 54-58 C-X-C motif chemokine ligand 8 Homo sapiens 50-53 34318676-3 2021 The phase equilibria in the 10-50 mol % ThF4 and 85-95 mol % ThF4 regions of the NaF-ThF4 phase diagram were measured using differential scanning calorimetry, as were the mixing enthalpies at 1266 K of (NaF/ThF4) = (0.8:0.2), (0.7:0.3) mixtures. thf4 61-65 C-X-C motif chemokine ligand 8 Homo sapiens 81-84 34318676-3 2021 The phase equilibria in the 10-50 mol % ThF4 and 85-95 mol % ThF4 regions of the NaF-ThF4 phase diagram were measured using differential scanning calorimetry, as were the mixing enthalpies at 1266 K of (NaF/ThF4) = (0.8:0.2), (0.7:0.3) mixtures. thf4 85-89 C-X-C motif chemokine ligand 8 Homo sapiens 81-84 30655477-6 2019 Qualitative trends along the series are discussed, and the experimental data for the (LiF:ThF4) = (0.5:0.5) composition are compared with the EXAFS spectrum generated from molecular dynamics simulations. thf4 90-94 LIF interleukin 6 family cytokine Homo sapiens 86-89 27447374-2 2016 Here, we report for the first time dynamic correlations, Onsager coefficients, Maxwell-Stefan (MS) diffusivities, and the concentration dependence of density and enthalpy of the molten salt mixture LiF-ThF4 at 1200 K in the composition range of 2-45% ThF4 and also at eutectic composition in the temperature range of 1123-1600 K using Green-Kubo formalism and equilibrium molecular dynamics simulations. thf4 202-206 LIF interleukin 6 family cytokine Homo sapiens 198-201 27447374-5 2016 Although reports on variations of density and enthalpy with temperature exist in the literature, for the first time we report variations of the density and enthalpy of LiF-ThF4 with the concentration of ThF4 (mole %) and fit them with the square root function of ThF4 concentration, which will be very useful for experimentalists to obtain data over a range of concentrations from fitting the formula for design purposes. thf4 172-176 LIF interleukin 6 family cytokine Homo sapiens 168-171 27447374-5 2016 Although reports on variations of density and enthalpy with temperature exist in the literature, for the first time we report variations of the density and enthalpy of LiF-ThF4 with the concentration of ThF4 (mole %) and fit them with the square root function of ThF4 concentration, which will be very useful for experimentalists to obtain data over a range of concentrations from fitting the formula for design purposes. thf4 203-207 LIF interleukin 6 family cytokine Homo sapiens 168-171 25702000-8 2015 After accurately accounting for valence and outer-core correlation, spin-orbit coupling, and even Lamb shift effects, the final 298 K atomization enthalpies of ThF4, ThF3, ThF2, and ThO2 are all within their experimental uncertainties. thf4 160-164 THO complex 2 Homo sapiens 182-186 25361071-0 2014 Theoretical studies of structure and dynamics of molten salts: the LiF-ThF4 system. thf4 71-75 LIF interleukin 6 family cytokine Homo sapiens 67-70 25361071-3 2014 We have performed molecular dynamics simulations on LiF-ThF4 MS at different molar percentages (LiF/ThF4 = 20.0 to 0.5) and temperatures (1100 to 1400 K). thf4 56-60 LIF interleukin 6 family cytokine Homo sapiens 52-55 31490165-1 2019 The microscopic structures of ThF4-LiF and ThF4-LiF-BeF2 molten salts have been systematically investigated by in situ high-temperature X-ray absorption fine-structure (XAFS) spectroscopy combined with molecular-dynamics (MD) simulations. thf4 30-34 LIF interleukin 6 family cytokine Homo sapiens 35-38 26498704-1 2015 Knudsen effusion mass spectrometry (KEMS) has been used to investigate the vapour pressure over the molten LiF-ThF4 salt and determine the thermodynamic activity of LiF and ThF4 in the liquid solution. thf4 111-115 LIF interleukin 6 family cytokine Homo sapiens 107-110